Geometry & MOs

Info

ID:	438796
PubChem CID:	135228553
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	532.232185
ΔH_f, kcal/mol:	0.82
Dipole, Da:	3.37
IP(EA), eV:	-8.74(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[2-(4-carboxypiperidin-1-yl)pyrimidin-5-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C(\C=N/C(=N)N1CCC(CC1)C(=O)C)/S

DOS

IR

Vibrations